Related papers: Parity-mixed coupled-cluster formalism for computi…
Coupled cluster calculations are traditionally performed over Hartree-Fock reference orbitals (HF-CC methodology). However, it has been repeatedly argued in the literature that the use of a Kohn-Sham reference (KS-CC methodology) might…
The atomic parity non-conservation(PNC) experiments has reached accuracies which have important implications for physics beyond the standard model. An optical rotation experiment to measure the atomic PNC of the 3P1(6s6p)--1P1(6s6p) in Yb…
In this paper, we present a parallel computing method for the coupled-cluster singles and doubles (CCSD) in periodic systems. The CCSD in periodic systems solves simultaneous equations for single-excitation and double-excitation amplitudes.…
Recent developments of high-order CCM have been to extend existing formalism and codes to $s \ge \frac 12$ for both the ground and excited states, and independently to "generalised" expectation values for a wide range of one- and two-body…
In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak correlation but fails catastrophically under strong correlation. Spin-projected unrestricted Hartree-Fock (SUHF), on the other hand, misses weak…
Heavy atom compounds represent a challenge for computational chemistry, due to the need for simultaneous treatment of relativistic and correlation effects. Often such systems exhibit also strong correlation which hampers the application of…
Recent advances in interpreting the most accurate to-date measurement of atomic parity violation in Cs are reviewed. The inferred nuclear weak charge, Q_W = - 72.65(28)_expt (36)_theor, agrees with the prediction of the standard model at 1…
The pragmatic approach to coded continuous-phase modulation (CPM) is proposed as a capacity-achieving low-complexity alternative to the serially-concatenated CPM (SC-CPM) coding scheme. In this paper, we first perform a selection of the…
We present the coupled-cluster singles and doubles method formulated in terms of truncated pair-natural orbitals (PNO) that are optimized to minimize the effect of truncation. Compared to the standard ground-state PNO coupled-cluster…
Parity-violating nuclear force, as may be accessed from parity violation studies in nuclear systems, represents an area of nonleptonic weak interactions which has been the subject of experimental investigations for several decades. In the…
We present relativistic coupled-cluster (CC) calculations of energies, magnetic-dipole hyperfine constants, and electric-dipole transition amplitudes for low-lying states of atomic boron. The trivalent boron atom is computationally treated…
Coupling of cluster and deformed structures are important for dynamics of nuclear structure. Threshold energy has been discussed to explain cluster structures coupling to deformed states but relation between threshold energy and excitation…
The Principle of Maximal Conformality (PMC) provides a rigorous method for eliminating renormalization scheme-and-scale ambiguities for perturbative QCD predictions. The PMC uses the renormalization group equation to fix the $\beta$-pattern…
Pion-pion scattering amplitude obtained from one-loop Chiral Perturbation Theory (ChPT) is crossing symmetric, however the corresponding partial-wave amplitudes do not respect exact unitarity relation. There are different approaches to get…
We demonstrate behaviors of correlation effects in the calculations of atomic properties through two commonly employed many-body methods; namely multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic coupled-cluster (RCC) methods.…
The phenomenon that multi-path components (MPCs) arrive in clusters has been verified by channel measurements, and is widely adopted by cluster-based channel models. As a crucial intermediate processing step, MPC clustering bridges raw data…
The coupled cluster method (CCM) is a powerful and widely applied technique of modern-day quantum many-body theory. It has been used with great success in order to understand the properties of quantum magnets at zero temperature. This is…
In this paper, we clarify a serious misinterpretation and consequent misuse of the Principle of Maximum Conformality (PMC), which also can be served as a mini review of PMC. We emphasize that the purpose of the PMC is to achieve precise…
We present nuclear spin-independent and dependent parity non-conservation amplitudes for the $[4f^{14}]6s\;^2S_{1/2}-[4f^{14}]5d\;^2D_{3/2}$ transition of $^{171}$Yb$^+$, calculated using perturbed relativistic coupled-cluster theory. As a…
Electron interactions with the nuclear-spin-dependent (NSD) parity non-conserving (PNC) anapole moment are strongly enhanced within heteronuclear diatomic molecules. A novel, low-energy optical rotation experiment is being proposed with the…